SCHEMBL25955671

SCHEMBL25955671

Cc1c(CC2(C)CCN(C(=O)OC(C)(C)C)CC2)sc2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
GPR119 Q8TDV5 1/20 0.37
BACE1 P56817 2/20 0.37
RORC P51449 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
ACKR3 P25106 1/20 0.36
DTYMK P23919 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
KRAS P01116 1/20 0.36
ALK Q9UM73 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25322424 0.78 CYP2C9 (0.42) CYP2C9NAMPTGPR119BACE1ACKR3
SCHEMBL4654028 0.72 PFKFB3 (0.38) FPR3FPR2MEN1KMT2AMAPT
SCHEMBL15781363 0.72 MKNK1 (0.45) BACE1DTYMKKRASMAPT
SCHEMBL25955672 0.72
SCHEMBL23329451 0.69 RORC (0.43) GPR119RORCFPR3FPR2MEN1
SCHEMBL12203692 0.69 OPRD1 (0.53) GPR119PKMJAK2JAK1
SCHEMBL15769139 0.69 MKNK1 (0.53) KRASMAPT
SCHEMBL23329720 0.69 RORC (0.41) GPR119RORCFPR3FPR2MEN1
SCHEMBL15781358 0.69 MKNK1 (0.46) KRASHDAC1HDAC6MAPT
SCHEMBL23329718 0.68 AOC2 (0.54) GPR119RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed